ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine

C10H22F3N — CID 156638528

IUPACethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine
SMILESCC.CCNC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N.C2H6/c1-5-12-6(7(2,3)4)8(9,10)11;1-2/h6,12H,5H2,1-4H3;1-2H3
InChIKeyDOBGOKVHTUVHAD-UHFFFAOYSA-N
MW213.29 g/mol
LogP3.60
Rot. Bonds2

About ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine

ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine (PubChem CID 156638528) has the molecular formula C10H22F3N and a molecular weight of 213.29 g/mol. Its IUPAC name is ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Nameethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine
PubChem CID156638528
Molecular FormulaC10H22F3N
Molecular Weight213.29 g/mol
Exact Mass213.17
IUPAC Nameethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine
SMILESCC.CCNC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N.C2H6/c1-5-12-6(7(2,3)4)8(9,10)11;1-2/h6,12H,5H2,1-4H3;1-2H3
InChIKeyDOBGOKVHTUVHAD-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine?
The IUPAC name of ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine (CID 156638528) is ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine.
What is the SMILES notation for ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine?
The canonical SMILES for ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine is CC.CCNC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine?
The InChIKey is DOBGOKVHTUVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N.C2H6/c1-5-12-6(7(2,3)4)8(9,10)11;1-2/h6,12H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine?
ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine has a molecular weight of 213.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1,1,1-trifluoro-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 156638528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).